Crystallography Open Database

Information card for entry 4314761

Preview

Coordinates	4314761.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(bpb)Ru(NO)(OEt)]
Formula	C20 H17 N5 O4 Ru
Calculated formula	C20 H17 N5 O4 Ru
Title of publication	Ruthenium Nitrosyls Derived from Tetradentate Ligands Containing Carboxamido-N and Phenolato-O Donors: Syntheses, Structures, Photolability, and Time Dependent Density Functional Theory Studies
Authors of publication	Nicole L. Fry; Michael J. Rose; David L. Rogow; Crystal Nyitray; Manpreet Kaur; Pradip K. Mascharak
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	1487 - 1495
a	15.6611 ± 0.0017 Å
b	13.0504 ± 0.0015 Å
c	9.1589 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1871.9 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0261
Residual factor for significantly intense reflections	0.0213
Weighted residual factors for significantly intense reflections	0.0513
Weighted residual factors for all reflections included in the refinement	0.0536
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179227 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/47.	4314761.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4314761.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4314761.cif
7904	2011-02-03	../uploads/cif-deposit/cod/cif Adding structures of 4314761 via cif-deposit CGI script.	4314761.cif